We test two methods to estimate a partition function of a system consisting of multi-atom molecules with intermolecular interaction. Our test case is a protein in water. The ΓΏrst method is based on rigid-body motions. The space in which the protein (bovine pancreatic trypsin inhibitor) would be movi
β¦ LIBER β¦
Application of the independent molecule model to the calculation of free energy and rigid-body motions of water heptamers and octamers
β Scribed by Shuzo Yoshioki
- Book ID
- 108181038
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 876 KB
- Volume
- 23
- Category
- Article
- ISSN
- 1093-3263
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